SCHEMBL17686767

SCHEMBL17686767

CC(=NN=C(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ P2RX1 P51575 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TACR1 P25103 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CES2 O00748 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ FURIN P09958 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17627114 1.00 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17686769 0.85 CYP1A2 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17627132 0.85 CYP1A2 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17627139 0.78 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17686765 0.78 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17686768 0.73 ALDH1A1 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17627135 0.73 ALDH1A1 (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12154028 0.72 TACR1 (0.47) MAPTMEN1KMT2ATACR1LMNA
SCHEMBL12402683 0.72 TACR1 (0.47) MAPTMEN1KMT2ATACR1LMNA
SCHEMBL12402681 0.72 TACR1 (0.47) MAPTMEN1KMT2ATACR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999694-B1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM ALPHA,ALPHA -DIHALOAMINES BAYER CROPSCIENCE AG (DE) 2017-05-17 — — EP disclosed
US-9512081-B2 Process for preparing 3,5-bis(fluoroalkyl)pyrazole derivatives from α,α-dihaloamines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-12-06 — — US disclosed
US-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES HDHD5, CYP4F3, AADAC MAPT 2647/4885CYP1A2 53/4885CYP3A4 20/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback